(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine

C13H16FN3O — CID 104941535

IUPAC(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FN3O/c1-3-11(15)12-7-16-8-17(12)9-4-5-13(18-2)10(14)6-9/h4-8,11H,3,15H2,1-2H3/t11-/m1/s1
InChIKeyAPJKEDUBWJYDPX-LLVKDONJSA-N
MW249.29 g/mol
LogP2.43
Rot. Bonds4

About (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine (PubChem CID 104941535) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine
PubChem CID104941535
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FN3O/c1-3-11(15)12-7-16-8-17(12)9-4-5-13(18-2)10(14)6-9/h4-8,11H,3,15H2,1-2H3/t11-/m1/s1
InChIKeyAPJKEDUBWJYDPX-LLVKDONJSA-N
XLogP2.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940
1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706294
(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine
CID 104941719
(1R)-1-(3-quinolin-6-ylimidazol-4-yl)propan-1-amine
CID 104942904
(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
CID 104941487
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
2-[3-(3-chloro-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443926
(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine
CID 104944066
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
CID 104943468
5-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazole
CID 11233655
(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine
CID 104942944

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine (CID 104941535) is (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1-c1ccc(OC)c(F)c1.
What is the InChIKey of (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine?
The InChIKey is APJKEDUBWJYDPX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-11(15)12-7-16-8-17(12)9-4-5-13(18-2)10(14)6-9/h4-8,11H,3,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine has a molecular weight of 249.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104941535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).